Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8048
- Core Entity Id
- 12118
- Source Entity Count
- 1
- Preferred Name
- 7(11)-eremophilen-8-one
- Name En
- Pubchem Id
- 12309917
- Smiles Canonical
- CC1CCCC2C1(CC(=C(C)C)C(=O)C2)C
- Molecular Formula
- C15H24O
- Molecular Weight
- 220.3560
- Inchikey
- HMLGXKHWABZSIS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H24O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h11-12H,5-9H2,1-4H3
- Isomeric Smiles
- CC1CCCC2C1(CC(=C(C)C)C(=O)C2)C
- Cas Id
- Ob Score
- Mol Logp
- 4.1282
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5610
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7(11)-eremophilen-8-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7(11)-eremophilen-8-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7(11)-eremophilen-8-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(+)-Eremophil-7(11)-en-8-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-Eremophil-7(11)-en-8-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,2'-((3-Methyl-4-(phenylazo)phenyl)imino)bis-Ethanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,2'-((3-Methyl-4-(phenylazo)phenyl)imino)bis-Ethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
4a,5-Dimethyl-3-propan-2-ylidene-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4a,5-Dimethyl-3-propan-2-ylidene-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
DIS. A. 2
Role
alias
Source
HERB_v2
Preferred
No
Name
DIS. A. 2
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-Eremophil-7(11)-en-8-one2,2'-((3-Methyl-4-(phenylazo)phenyl)imino)bis-Ethanol4a,5-Dimethyl-3-propan-2-ylidene-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-oneDIS. A. 2
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012865
Npass
NPC99917
Tcmid
39119
Pub Chem
12309917
Tcmbank
TCMBANKIN009676
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H24O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h11-12H,5-9H2,1-4H3
Mol Wt
220.356
Smiles
CC1CCCC2C1(CC(=C(C)C)C(=O)C2)C
Mol Log P
4.128200000000003
In Ch Ikey
HMLGXKHWABZSIS-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.561
Num Hacceptors
1
Isomeric Smiles
CC1CCCC2C1(CC(=C(C)C)C(=O)C2)C
Canonical Smiles
CC1CCCC2C1(CC(=C(C)C)C(=O)C2)C
Herb Alias Names
4a,5-Dimethyl-3-propan-2-ylidene-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-oneDIS. A. 2(+)-Eremophil-7(11)-en-8-one2,2'-((3-Methyl-4-(phenylazo)phenyl)imino)bis-Ethanol
Molecular Weight
220.35 g/mol
Molecular Formula
C15H24O
Molecular Formula
C15H24O
Num Rotatable Bonds
0